gradient paths of laplacian

asenruhup@hotmail.com · 2019-04-14 09:12:07

Could it be possible to draw the gradient paths of laplacian up to a distance from the CP (where usually ends up)

sobereva · 2019-04-14 16:59:29

Do you mean you want to plot a plane map of Laplacian of electron density, in which the gradient lines emit from (3,-1) CP of Laplacian of electron density?

asenruhup@hotmail.com · 2019-04-15 17:59:47

No, I mean in a 3D plot with gradient lines of lap that go up to infinity

sobereva · 2019-04-16 02:58:20

In the topology analysis module, there is an option "-2 Set path generating parameters", in which you can modify "1 Maximum number of points of a path". This parameter controls the maximal length of any kind of path.

asenruhup@hotmail.com · 2019-04-17 08:46:56

I have change the parameter up to 5000 points, and the result seems to be the same

sobereva · 2019-04-17 09:48:51

Under the default setting, the maximal length of path is already long enough. If you want to decrease the maximal length, you should use less number of points.
PS: If the number of points is not adequately large to make a path reach a CP, then the path generation will be failed, and the path will not be shown.

Multiwfn forum

#1 2019-04-14 09:12:07

gradient paths of laplacian

#2 2019-04-14 16:59:29

Re: gradient paths of laplacian

#3 2019-04-15 17:59:47

Re: gradient paths of laplacian

#4 2019-04-16 02:58:20

Re: gradient paths of laplacian

#5 2019-04-17 08:46:56

Re: gradient paths of laplacian

#6 2019-04-17 09:48:51

Re: gradient paths of laplacian

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